Re: [Rdkit-discuss] compiling error with C++ on maverick

2016-03-12 Thread Yingfeng Wang
Greg, Thanks. Your suggestion solves my problem. I add the following part in my compiling command. -L/Users/yingfeng/software/RDKit/rdkit-Release_2015_03_1/lib -lRDInchiLib -lInChi -lGraphMol -lRDGeneral and the complete compiling command is g++ -Wall -O2 -std=c++11 -I

Re: [Rdkit-discuss] Stereochemistry question

2016-03-12 Thread Giuseppe Marco Randazzo
Im agree with you but if you consider triphenylphosphorane such as ethoxycarbonylmethylene triphenylphosphorane you will have different equilibrium between the cis and trans form function of the organic solvent. If you increase the polarity of the solvent, the equilibrium shifts in the